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- W2313374034 abstract "The asymmetric unit of the title compound [systematic name: 2-(3-cyano-4-iso-butyl-oxyphen-yl)-4-methyl-thia-zole-5-carb-oxy-lic acid-acetic acid (1/1)], C16H16N2O3S·CH3COOH, contains a febuxostat mol-ecule and an acetic acid mol-ecule. In the febuxostat mol-ecule, the thia-zole ring is nearly coplanar with the benzene ring [dihedral angle = 3.24 (2)°]. In the crystal, the febuxostat and acetic acid mol-ecules are linked by O-H⋯O, O-H⋯N hydrogen bonds and weak C-H⋯O hydrogen bonds, forming supra-molecular chains propagating along the b-axis direction. π-π stacking is observed between nearly parallel thia-zole and benzene rings of adjacent mol-ecules; the centroid-to-centroid distances are 3.8064 (17) and 3.9296 (17) Å." @default.
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- W2313374034 date "2015-04-09" @default.
- W2313374034 modified "2023-10-16" @default.
- W2313374034 title "Crystal structure of febuxostat–acetic acid (1/1)" @default.
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- W2313374034 doi "https://doi.org/10.1107/s2056989015005708" @default.
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